(Z)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (Z)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (Z)-3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (Z)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (Z)-3-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-tosyl-acrylonitrile Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)/C#N

InChI

InChI=1S/C21H22ClN3O2S/c1-16-3-7-19(8-4-16)28(26,27)20(14-23)15-24-9-11-25(12-10-24)21-13-18(22)6-5-17(21)2/h3-8,13,15H,9-12H2,1-2H3/b20-15-